2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine

C18H19N — CID 19934858

IUPAC2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
SMILESCc1ccc2c(c1)=C1C(CCC3C=CC=CC13)NC=2
InChIInChI=1S/C18H19N/c1-12-6-7-14-11-19-17-9-8-13-4-2-3-5-15(13)18(17)16(14)10-12/h2-7,10-11,13,15,17,19H,8-9H2,1H3
InChIKeyVWCWITNRTNQOKL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds

About 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine

2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine (PubChem CID 19934858) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine.

Molecular Properties

Compound Name2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
PubChem CID19934858
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine
SMILESCc1ccc2c(c1)=C1C(CCC3C=CC=CC13)NC=2
InChIInChI=1S/C18H19N/c1-12-6-7-14-11-19-17-9-8-13-4-2-3-5-15(13)18(17)16(14)10-12/h2-7,10-11,13,15,17,19H,8-9H2,1H3
InChIKeyVWCWITNRTNQOKL-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The IUPAC name of 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine (CID 19934858) is 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine.
What is the SMILES notation for 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The canonical SMILES for 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine is Cc1ccc2c(c1)=C1C(CCC3C=CC=CC13)NC=2.
What is the InChIKey of 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
The InChIKey is VWCWITNRTNQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12-6-7-14-11-19-17-9-8-13-4-2-3-5-15(13)18(17)16(14)10-12/h2-7,10-11,13,15,17,19H,8-9H2,1H3.
What are the key properties of 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine?
2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine has a molecular weight of 249.36 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,6a,7,8,8a,12a-hexahydrobenzo[a]phenanthridine is sourced from PubChem (CID 19934858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).